Cas no 1391-36-2 (Duramycin)

Duramycin structure
Duramycin structure
Product Name:Duramycin
CAS No:1391-36-2
MF:C88H123N23O25S3
MW:1999.25233578682
CID:41312
PubChem ID:92043271
Update Time:2025-04-28

Duramycin Chemical and Physical Properties

Names and Identifiers

    • Lancovutide
    • Duramycin
    • Ancovenin,2-L-lysine-6-(3-aminoalanine)-10-L-phenylalanine-12-L-phenylalanine-13-L-valine-15-(erythro-3-hydroxy-L-aspartic acid)-,cyclic 6-19)-imine
    • Lancovutide [INN]
    • Leucopeptin
    • UNII-BPR0F3X56H
    • antibioticpa48009
    • duramycin from streptoverticillium*ci·Namoneus
    • duramycin from streptoverticillium*cinnamoneus
    • 2-l-lysine-6-(3-aminoalanine)-10-l-phenylalanine-12-l-phenylalanine-ancoveni
    • cyclic6-19)-imine
    • 1391-36-2
    • CHEBI:219659
    • PA48009
    • Inchi: 1S/C88H123N23O25S3/c1-44(2)67-85(131)107-60-42-138-41-59-80(126)106-61-43-139-45(3)68(86(132)102-55(76(122)108-67)34-48-22-11-6-12-23-48)109-77(123)54(33-47-20-9-5-10-21-47)101-83(129)62-26-17-31-111(62)66(115)38-95-72(118)53(32-46-18-7-4-8-19-46)100-78(124)57(103-81(61)127)36-93-30-16-14-25-52(87(133)134)99-79(125)58(105-75(121)56(35-64(92)113)96-65(114)37-94-84(130)69(110-82(60)128)70(116)88(135)136)40-137-39-49(90)71(117)97-50(24-13-15-29-89)73(119)98-51(74(120)104-59)27-28-63(91)112/h4-12,18-23,44-45,49-62,67-70,93,116H,13-17,24-43,89-90H2,1-3H3,(H2,91,112)(H2,92,113)(H,94,130)(H,95,118)(H,96,114)(H,97,117)(H,98,119)(H,99,125)(H,100,124)(H,101,129)(H,102,132)(H,103,127)(H,104,120)(H,105,121)(H,106,126)(H,107,131)(H,108,122)(H,109,123)(H,110,128)(H,133,134)(H,135,136)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,60-,61-,62-,67-,68+,69-,70-/m0/s1
    • InChI Key: BPIFGBWRBGTMHX-CREJVHTASA-N
    • SMILES: S1C[C@H]2C(N[C@H]3CNCCCC[C@@H](C(=O)O)NC([C@H]4CSC[C@@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@H](CSC[C@@H](C(N[C@H](C(NCC(N[C@@H](CC(N)=O)C(N4)=O)=O)=O)[C@@H](C(=O)O)O)=O)NC([C@H](C(C)C)NC([C@H](CC4C=CC=CC=4)NC([C@@H]([C@@H]1C)NC([C@H](CC1C=CC=CC=1)NC([C@@H]1CCCN1C(CNC([C@H](CC1C=CC=CC=1)NC3=O)=O)=O)=O)=O)=O)=O)=O)C(N2)=O)=O)=O)CCCCN)=O)N)=O)=O

Computed Properties

  • Exact Mass: 1997.82000
  • Monoisotopic Mass: 1997.8222600g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 25
  • Hydrogen Bond Acceptor Count: 31
  • Heavy Atom Count: 140
  • Rotatable Bond Count: 25
  • Complexity: 4340
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 16
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 1001
  • XLogP3: -9.2
  • Topological Polar Surface Area: 836?2

Experimental Properties

  • Density: 1.0238 (rough estimate)
  • Melting Point: 271-273 oC
  • Refractive Index: 1.6680 (estimate)
  • Solubility: 0.1 M HCl: soluble10mg/mL
  • PSA: 835.99000
  • LogP: -0.94690

Duramycin Security Information

  • RTECS:BV7100000

Duramycin Pricemore >>

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$ 160.00 2023-01-11
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